2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-4-methyl-pyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridin-1-iumyl)thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-methylpyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-methyl-pyridin-1-ium-2-yl)thio]-N-(4-bromophenyl)acetamide Formula: C16H13BrN5OS+ MolecularWeight: 403.27632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1C#N)SCC(=O)NC2=CC=C(C=C2)Br)N)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1C#N)SCC(=O)NC2=CC=C(C=C2)Br)N)C#N

InChI

InChI=1S/C16H12BrN5OS/c1-9-12(6-18)15(20)22-16(13(9)7-19)24-8-14(23)21-11-4-2-10(17)3-5-11/h2-5H,8H2,1H3,(H2,20,22)(H,21,23)/p+1